5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide

C14H20BrNO2 — CID 112725800

IUPAC5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide
SMILESCC(C)CN(C(=O)c1ccc(Br)o1)C1CCCC1
InChIInChI=1S/C14H20BrNO2/c1-10(2)9-16(11-5-3-4-6-11)14(17)12-7-8-13(15)18-12/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyZHKXTODETNMDCF-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.08
Rot. Bonds4

About 5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide

5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide (PubChem CID 112725800) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide
PubChem CID112725800
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide
SMILESCC(C)CN(C(=O)c1ccc(Br)o1)C1CCCC1
InChIInChI=1S/C14H20BrNO2/c1-10(2)9-16(11-5-3-4-6-11)14(17)12-7-8-13(15)18-12/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyZHKXTODETNMDCF-UHFFFAOYSA-N
XLogP4.08
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60733156
(2S)-3-[(5-bromofuran-2-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
CID 99851755
5-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 61343308
5-bromo-N-cyclopropyl-N-ethylfuran-2-carboxamide
CID 60729086
5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide
CID 61062387
5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 102862780
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 60738196
3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113223704
5-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113221746
5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide
CID 60653081
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 60666540
2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide
CID 107032458

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide (CID 112725800) is 5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide is CC(C)CN(C(=O)c1ccc(Br)o1)C1CCCC1.
What is the InChIKey of 5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide?
The InChIKey is ZHKXTODETNMDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10(2)9-16(11-5-3-4-6-11)14(17)12-7-8-13(15)18-12/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide?
5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide has a molecular weight of 314.22 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide is sourced from PubChem (CID 112725800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).